N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane

C135H289F2N15O12 — CID 158950812

IUPACN-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane
SMILESC.C.CC(C)C(C)(C)C.CC(C)C(C)(F)F.CC(C)C(C)C(=O)N1CCOCC1.CC(C)C(C)CN1CCOCC1.CC(C)C1CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NCCCN1CCOCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC(C)C.CCCNCCC(C)C.CCN(CC)CCC(C)C.CCN(CC)CCN(CC)C(=O)CC(C)C.CCOC(=O)C(C)C
InChIInChI=1S/C13H28N2O.C12H24N2O2.C12H24N2O.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.C9H19NO.C9H21N.2C8H19N.C7H16.C6H12O2.C6H12.C5H10F2.2CH4/c1-6-14(7-2)9-10-15(8-3)13(16)11-12(4)5;1-11(2)10-12(15)13-4-3-5-14-6-8-16-9-7-14;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-8(2)9(3)10(12)11-4-6-13-7-5-11;1-9(2)10(3)8-11-4-6-12-7-5-11;1-9(2)3-6-11-7-4-10-5-8-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-7(2)5-6-9-8(3)4;1-4-6-9-7-5-8(2)3;1-6(2)7(3,4)5;1-4-8-6(7)5(2)3;1-5(2)6-3-4-6;1-4(2)5(3,6)7;;/h12H,6-11H2,1-5H3;11H,3-10H2,1-2H3,(H,13,15);10-11H,5-9H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;6H,1-5H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3;2*1H4
InChIKeyJLKCYEKHGHDCLD-UHFFFAOYSA-N
MW2352.89 g/mol
LogP26.57
Rot. Bonds48

About N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane

N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane (PubChem CID 158950812) has the molecular formula C135H289F2N15O12 and a molecular weight of 2352.89 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane
PubChem CID158950812
Molecular FormulaC135H289F2N15O12
Molecular Weight2352.89 g/mol
Exact Mass2351.24
IUPAC NameN-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane
SMILESC.C.CC(C)C(C)(C)C.CC(C)C(C)(F)F.CC(C)C(C)C(=O)N1CCOCC1.CC(C)C(C)CN1CCOCC1.CC(C)C1CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NCCCN1CCOCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC(C)C.CCCNCCC(C)C.CCN(CC)CCC(C)C.CCN(CC)CCN(CC)C(=O)CC(C)C.CCOC(=O)C(C)C
InChIInChI=1S/C13H28N2O.C12H24N2O2.C12H24N2O.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.C9H19NO.C9H21N.2C8H19N.C7H16.C6H12O2.C6H12.C5H10F2.2CH4/c1-6-14(7-2)9-10-15(8-3)13(16)11-12(4)5;1-11(2)10-12(15)13-4-3-5-14-6-8-16-9-7-14;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-8(2)9(3)10(12)11-4-6-13-7-5-11;1-9(2)10(3)8-11-4-6-12-7-5-11;1-9(2)3-6-11-7-4-10-5-8-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-7(2)5-6-9-8(3)4;1-4-6-9-7-5-8(2)3;1-6(2)7(3,4)5;1-4-8-6(7)5(2)3;1-5(2)6-3-4-6;1-4(2)5(3,6)7;;/h12H,6-11H2,1-5H3;11H,3-10H2,1-2H3,(H,13,15);10-11H,5-9H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;6H,1-5H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3;2*1H4
InChIKeyJLKCYEKHGHDCLD-UHFFFAOYSA-N
XLogP26.57
TPSA241.56 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds48
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002352.89
LogP ≤ 526.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane (CID 158950812) is N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane is C.C.CC(C)C(C)(C)C.CC(C)C(C)(F)F.CC(C)C(C)C(=O)N1CCOCC1.CC(C)C(C)CN1CCOCC1.CC(C)C1CC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NCCCN1CCOCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC(C)C.CCCNCCC(C)C.CCN(CC)CCC(C)C.CCN(CC)CCN(CC)C(=O)CC(C)C.CCOC(=O)C(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane?
The InChIKey is JLKCYEKHGHDCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.C12H24N2O2.C12H24N2O.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.C9H19NO.C9H21N.2C8H19N.C7H16.C6H12O2.C6H12.C5H10F2.2CH4/c1-6-14(7-2)9-10-15(8-3)13(16)11-12(4)5;1-11(2)10-12(15)13-4-3-5-14-6-8-16-9-7-14;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-8(2)9(3)10(12)11-4-6-13-7-5-11;1-9(2)10(3)8-11-4-6-12-7-5-11;1-9(2)3-6-11-7-4-10-5-8-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-7(2)5-6-9-8(3)4;1-4-6-9-7-5-8(2)3;1-6(2)7(3,4)5;1-4-8-6(7)5(2)3;1-5(2)6-3-4-6;1-4(2)5(3,6)7;;/h12H,6-11H2,1-5H3;11H,3-10H2,1-2H3,(H,13,15);10-11H,5-9H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;6H,1-5H3;5H,4H2,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3;2*1H4.
What are the key properties of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane?
N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane has a molecular weight of 2352.89 g/mol, XLogP of 26.57, 48 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;ethyl 2-methylpropanoate;methane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;3-methyl-N-propylbutan-1-amine;propan-2-ylcyclopropane;2,2,3-trimethylbutane is sourced from PubChem (CID 158950812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).